N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C21H22F3N5OS — CID 86900419

About N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 86900419) has the molecular formula C21H22F3N5OS and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
• PubChem CID: 86900419
• Molecular Formula: C21H22F3N5OS
• Molecular Weight: 449.50 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
• SMILES: Cc1ccc(C(CNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)N2CCOCC2)s1
• InChI: InChI=1S/C21H22F3N5OS/c1-14-5-6-17(31-14)16(29-8-10-30-11-9-29)13-26-19-12-18(21(22,23)24)27-20(28-19)15-4-2-3-7-25-15/h2-7,12,16H,8-11,13H2,1H3,(H,26,27,28)
• InChIKey: IUXBOTNGZQCQPN-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.50
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

The IUPAC name of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 86900419) is N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

What is the SMILES notation for N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

The canonical SMILES for N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(C(CNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)N2CCOCC2)s1.

What is the InChIKey of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

The InChIKey is IUXBOTNGZQCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5OS/c1-14-5-6-17(31-14)16(29-8-10-30-11-9-29)13-26-19-12-18(21(22,23)24)27-20(28-19)15-4-2-3-7-25-15/h2-7,12,16H,8-11,13H2,1H3,(H,26,27,28).

What are the key properties of N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?

N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 449.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 86900419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).